(E)-but-2-enedioate; 4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole

Systemtic Name: (E)-but-2-enedioate; 4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole Openeye Name: (E)-but-2-enedioate; 4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole CAS Name: (E)-2-butenedioate; 4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole IUPAC Name: (E)-but-2-enedioate; 4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole Traditional Name: 4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole fumarate Formula: C20H22N2O4-2 MolecularWeight: 354.39968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC=C(C1)C2=C3C=CNC3=CC=C2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCN1CCC=C(C1)C2=C3C=CNC3=CC=C2.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C16H20N2.C4H4O4/c1-2-10-18-11-4-5-13(12-18)14-6-3-7-16-15(14)8-9-17-16;5-3(6)1-2-4(7)8/h3,5-9,17H,2,4,10-12H2,1H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+